SCHEMBL31336268

SCHEMBL31336268

Cc1cc(OCc2ccccc2)cc(-c2cc3ccccc3nc2Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
STAT3 P40763 2/20 0.49
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALOX5 P09917 1/20 0.40
CYP3A4 P08684 1/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
BACE1 P56817 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSP90AA1 P07900 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26608303 1.00 HTT (0.49) HTTSMN1; SMN2STAT3MAPTLMNA
SCHEMBL26608380 0.78 HDAC1 (0.41) MAPTLMNAALOX5POLBKDM4E
SCHEMBL30593187 0.78 HDAC1 (0.41) MAPTLMNAALOX5POLBKDM4E
SCHEMBL26608363 0.77 ALDH1A1 (0.43) SMN1; SMN2L3MBTL1POLBKDM4EHPGD
SCHEMBL26608223 0.77 ALDH1A1 (0.43) SMN1; SMN2L3MBTL1POLBKDM4EHPGD
SCHEMBL30593153 0.77 ALDH1A1 (0.43) SMN1; SMN2L3MBTL1POLBKDM4EHPGD
SCHEMBL15984861 0.76 ALOX5 (0.56) HTTSMN1; SMN2STAT3MAPTLMNA
SCHEMBL14311057 0.75 ALOX5 (0.49) HTTSMN1; SMN2STAT3LMNAL3MBTL1
SCHEMBL31440858 0.74 HTT (0.50) HTTSMN1; SMN2STAT3MAPTLMNA
SCHEMBL26615725 0.74 HTT (0.50) HTTSMN1; SMN2STAT3MAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119546580-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-02-28 CN disclosed